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TT: Fachverband Tiefe Temperaturen

TT 20: Correlated Electrons: Spin Systems and Itinerant Magnets - Frustrated Magnets II

TT 20.9: Vortrag

Montag, 31. März 2014, 17:15–17:30, HSZ 304

The interplay of crystal structure, electronic structure and magnetism in SrCo₂P₂ — •Helge Rosner, Deepa Kasinathan, Inga Kraft, Vivien Lorenz, Christoph Bergmann, and Christoph Geibel — Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Str. 40, 01187 Dresden

Since the discovery of high temperature superconductivity in doped iron pniktides, in particular AFe₂As₂ systems of the ThCr₂Si₂ structure type, the intricate interplay of crystal structure, magnetism and superconductivity in these compounds has attracted broad attention. It is widely believed that the superconductivity of this compound family is closely related tho spin fluctuations. A clear picture of the coupling scenario, however, has not yet emerged. SrCo₂P₂ is a structural homologue of the AFe₂As₂ compound series. Experimental investigations indicate a paramagnetic ground state of the system, but a closed vicinity to a (quantum) critical point. We studied the electronic structure and magnetic properties of this compound applying DFT calculations in different approximations. In all setups, we find a pronounced peak in the electronic density of states close to the Fermi level originating from Co-3d states, indicating an instability towards magnetic order. However, structural details have a surprisingly strong influence on details of the band structure and the topology of the Fermi surface. Our calculational results are compared with thermodynamic measurements and de-Haas-van-Alphen data.